4-[(2-methylphenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-methylphenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(o-tolylmethylamino)-4-oxo-butanoic acid CAS Name: 4-[(2-methylphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(2-methylphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(2-methylbenzyl)amino]butyric acid Formula: C12H15NO3 MolecularWeight: 221.2524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)CCC(=O)O

InChI

InChI=1S/C12H15NO3/c1-9-4-2-3-5-10(9)8-13-11(14)6-7-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)